MMs00168062 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7391 1.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0218 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5217 2.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 1.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4999 -0.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2826 3.8781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7825 3.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5216 2.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5434 5.1583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3434 5.1583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8043 6.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5651 7.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0651 7.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 6.4384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0433 5.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3041 6.4259 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 7.9258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2916 4.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8041 6.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 5.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0431 5.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8040 6.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0649 7.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5649 7.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3039 6.3756 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6087 -1.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9391 1.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5695 3.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4608 1.2701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0912 -1.0568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6913 4.9224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8786 5.6999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8915 7.2426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 8.1761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7834 8.9362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8666 8.9272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 8.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 3.9657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1675 4.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9345 4.0738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6344 4.0512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6736 8.7276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9736 8.7502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 M END